2-ethyl-N-[4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide

C21H16F3N5O — CID 150180276

IUPAC2-ethyl-N-[4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1ccc(-c2ncc3cc(C(F)(F)F)ccc3n2)cc1
InChIInChI=1S/C21H16F3N5O/c1-2-29-18(9-10-26-29)20(30)27-16-6-3-13(4-7-16)19-25-12-14-11-15(21(22,23)24)5-8-17(14)28-19/h3-12H,2H2,1H3,(H,27,30)
InChIKeyFLGPYDMGCFSYNE-UHFFFAOYSA-N
MW411.39 g/mol
LogP4.78
Rot. Bonds4

About 2-ethyl-N-[4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide

2-ethyl-N-[4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide (PubChem CID 150180276) has the molecular formula C21H16F3N5O and a molecular weight of 411.39 g/mol. Its IUPAC name is 2-ethyl-N-[4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide
PubChem CID150180276
Molecular FormulaC21H16F3N5O
Molecular Weight411.39 g/mol
Exact Mass411.13
IUPAC Name2-ethyl-N-[4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1ccc(-c2ncc3cc(C(F)(F)F)ccc3n2)cc1
InChIInChI=1S/C21H16F3N5O/c1-2-29-18(9-10-26-29)20(30)27-16-6-3-13(4-7-16)19-25-12-14-11-15(21(22,23)24)5-8-17(14)28-19/h3-12H,2H2,1H3,(H,27,30)
InChIKeyFLGPYDMGCFSYNE-UHFFFAOYSA-N
XLogP4.78
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide
CID 19475264
2-methyl-N-[3-[4-(trifluoromethyl)phenyl]quinolin-7-yl]pyrazole-3-carboxamide
CID 137498224
N-(4-bromophenyl)-2-ethylpyrazole-3-carboxamide
CID 1225480
2-(2,3-dihydro-1H-tetrazol-5-ylmethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide
CID 142520430
N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-1H-pyrazole-5-carboxamide
CID 137434662
2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]aniline
CID 137425224
1-ethyl-N-[4-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-3-methylpyrazole-4-carboxamide
CID 4774253
N-[2-fluoro-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-2-methylpyrazole-3-carboxamide
CID 137425538
4-amino-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
CID 43642862
N-[(1S)-1-cyclopentyl-2-[4-[2-methyl-4-(trifluoromethyl)-3-pyridinyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 170425392
methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamic acid
CID 137425160
2-ethyl-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]pyrazole-3-carboxamide
CID 19578873

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide (CID 150180276) is 2-ethyl-N-[4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1ccc(-c2ncc3cc(C(F)(F)F)ccc3n2)cc1.
What is the InChIKey of 2-ethyl-N-[4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide?
The InChIKey is FLGPYDMGCFSYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O/c1-2-29-18(9-10-26-29)20(30)27-16-6-3-13(4-7-16)19-25-12-14-11-15(21(22,23)24)5-8-17(14)28-19/h3-12H,2H2,1H3,(H,27,30).
What are the key properties of 2-ethyl-N-[4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide?
2-ethyl-N-[4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide has a molecular weight of 411.39 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 150180276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).